---
id: seekpath
version: "2.2.1"
license: unclear
license_treatment: permissive
maintenance: active
---

# seekpath — A module to obtain and visualize k-vector coefficients and obtain band paths in the Brillouin zone of crystal structures

License: permissive · Maintenance: active · Downloads: 626.1K/mo

## What it is and what it does

SeeK-path is a Python module that computes optimal band structure paths through the Brillouin zone for any crystal structure. It automatically detects the Bravais lattice type using spacegroup symmetry, assigns k-point labels following the HPKOT crystallographic convention, and suggests a standard band path for electronic structure calculations. The package handles systems without time-reversal or inversion symmetry correctly.

The module is designed for computational materials scientists and physicists preparing band structure calculations. It takes a crystal structure as input (typically from materials simulation software) and returns the high-symmetry k-points and recommended path, eliminating manual lookup of crystallographic conventions and reducing errors in band structure workflows.

Use it for:

- Preparing band structure calculations by automatically generating k-point paths for DFT codes like VASP or Quantum ESPRESSO.
- Identifying high-symmetry points and their labels for any crystal structure without manual crystallographic lookup.
- Standardizing band structure workflows across different research groups by applying consistent HPKOT conventions.
- Detecting and handling symmetry-breaking systems (no inversion or time-reversal symmetry) correctly in band path generation.
- Visualizing primitive cells and Brillouin zones alongside computed band paths via the online Materials Cloud tool.

## Worth the install?

AI-flagged interpretation of the facts above — verify before relying.

SeeK-path generates optimal k-point band paths in the Brillouin zone for crystal structures, automatically detecting Bravais lattice type and applying crystallographic conventions to label high-symmetry points.

Yes. SeeK-path is actively maintained, has no known vulnerabilities, carries a permissive MIT license, and solves a well-defined problem in computational materials science. The low install friction and minimal dependencies make it a safe addition to materials simulation workflows. Install it if you routinely prepare band structure calculations.

## Install

pip install seekpath
uv add seekpath
poetry add seekpath

## Installing seekpath

Before you install: Low friction: pure Python wheel with only numpy and spglib as runtime dependencies. Actively maintained with recent commits and no known vulnerabilities.

License in practice: MIT license (permissive) means you can use, modify, and redistribute this package with minimal restrictions in both open-source and commercial projects.

Quickstart:

pip install seekpath

import seekpath
result = seekpath.get_path(structure)

Requires a crystal structure object (typically from ASE or similar materials science library); seekpath itself does not parse structure files.

Verify before relying:

- Whether the package handles non-standard or disordered crystal structures gracefully.
- Performance characteristics for large supercells or high-complexity crystal systems.
- Availability and stability of the online Materials Cloud visualization tool mentioned in the description.

## Package facts

- License: not declared (permissive)
- Python support: supports_current
- Install friction: low
- Maintenance: active
- Downloads: 626.1K/month (top 15,000 on PyPI)
- Known vulnerabilities: none known

## Tags

band structure k-point paths, Brillouin zone path generation, crystal symmetry band paths, high-symmetry k-points, crystallographic band structure, spacegroup k-vector paths, primitive cell band paths, crystallography, band-structure, materials-science

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